SEQ2FUN

BioLiP

PDB CCD ID: A1JI6
Number of entries in BioLiP: 1
Chemical formula: C25 H44 O6 P2 S
InChI: InChI=1S/C25H44O6P2S/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-34-33(29,30)31-32(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+
InChIKey: GLTFGFJVZBHKFR-GIXZANJISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CSP(=O)(O)OP(=O)(O)O)/C)/C)/C)/C)C
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C)C)C
CACTVS 3.385CC(C)=CCCC(/C)=C/CC\C(C)=C\CCC(/C)=C/CC\C(C)=C\CS[P](O)(=O)O[P](O)(O)=O
Name:[(2~{E},6~{E},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]sulfanyl-phosphonooxy-phosphinic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).